Geometry & MOs

Info

ID:	188933
PubChem CID:	77787027
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-228.79
Dipole, Da:	1.97
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethyl-3-propan-2-yl-1-benzofuran-5-yl)but-2-en-1-ol

Drug info:

PubChemData

Smile

C1CN2CCC1C(C2)NC(=O)C3=CC=C(C=C3)OC4CC(NC4)C(F)(F)F

DOS

IR

Vibrations